N-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide

C14H27N3O3 — CID 123784075

IUPACN-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1[C@@H](O)[C@@H](O)CN1CCN1CCCCC1
InChIInChI=1S/C14H27N3O3/c1-11(18)15-9-12-14(20)13(19)10-17(12)8-7-16-5-3-2-4-6-16/h12-14,19-20H,2-10H2,1H3,(H,15,18)/t12-,13-,14+/m0/s1
InChIKeyRCCCPZZPNZYOHO-MELADBBJSA-N
MW285.39 g/mol
LogP-0.99
Rot. Bonds5

About N-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide

N-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide (PubChem CID 123784075) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide
PubChem CID123784075
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1[C@@H](O)[C@@H](O)CN1CCN1CCCCC1
InChIInChI=1S/C14H27N3O3/c1-11(18)15-9-12-14(20)13(19)10-17(12)8-7-16-5-3-2-4-6-16/h12-14,19-20H,2-10H2,1H3,(H,15,18)/t12-,13-,14+/m0/s1
InChIKeyRCCCPZZPNZYOHO-MELADBBJSA-N
XLogP-0.99
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide (CID 123784075) is N-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide is CC(=O)NC[C@H]1[C@@H](O)[C@@H](O)CN1CCN1CCCCC1.
What is the InChIKey of N-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is RCCCPZZPNZYOHO-MELADBBJSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(18)15-9-12-14(20)13(19)10-17(12)8-7-16-5-3-2-4-6-16/h12-14,19-20H,2-10H2,1H3,(H,15,18)/t12-,13-,14+/m0/s1.
What are the key properties of N-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide?
N-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 285.39 g/mol, XLogP of -0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 123784075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).